SCHEMBL3278959

SCHEMBL3278959

O=C(CCCN1CC(F)C(O)(c2ccc(Cl)cc2)C1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.61
ADRA1A P35348 3/20 0.53
HTR1A P08908 3/20 0.52
HTR2A P28223 3/20 0.52
HTR2C P28335 3/20 0.52
HRH1 P35367 3/20 0.52
DRD3 P35462 3/20 0.52
ADRA2A P08913 2/20 0.52
ADRA2B P18089 2/20 0.52
ADRA2C P18825 2/20 0.52
DRD4 P21917 2/20 0.52
ADRA1B P35368 2/20 0.52
HTR7 P34969 2/20 0.51
HTR2B P41595 2/20 0.51
MEN1 O00255 1/20 0.51
CACNA1F O60840 1/20 0.51
KCNK2 O95069 1/20 0.51
ABCB11 O95342 1/20 0.51
CYP1A2 P05177 1/20 0.51
ADRB2 P07550 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9050736 0.76 DRD2 (1.00) DRD2ADRA1AHTR1AHTR2AHTR2C
SCHEMBL8986058 0.72 DRD2 (0.70) DRD2ADRA1AHTR1AHTR2AHTR2C
SCHEMBL9051399 0.71 DRD2 (0.80) DRD2ADRA1AHTR1AHTR2AHTR2C
SCHEMBL11794402 0.71 DRD2 (0.69) DRD2ADRA1AHTR1AHTR2AHTR2C
SCHEMBL8986040 0.70 DRD2 (0.87) DRD2ADRA1AHTR1AHTR2AHTR2C
Haloperidol SCHEMBL4113148 0.69 DRD2 (0.83) DRD2ADRA1AHTR1AHTR2AHTR2C
Chlorohaloperidol SCHEMBL4112719 0.69 DRD2 (1.00) DRD2ADRA1AHTR1AHTR2AHTR2C
SCHEMBL8967710 0.69 KMT2A (0.66) DRD2ADRA1AHTR1AHTR2AHTR2C
SCHEMBL3122836 0.68 DRD2 (1.00) DRD2ADRA1AHTR1AHTR2AHTR2C
SCHEMBL8986015 0.68 DRD2 (0.82) DRD2ADRA1AHTR1AHTR2AHTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700587-B2 Haloperidol analogs FLORIDA A&M UNIVERSITY (US) 2010-04-20 US disclosed
US-20060052363-A1 which are incapable of metabolizing to BCPP+ like species, and have affinity for D2 receptor subtype and functions as dopamine receptor antagonist NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-03-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060052363-A1 which are incapable of metabolizing to BCPP+ like species, and have affinity for D2 receptor subtype and functions as dopamine receptor antagonist DBH, TACR1, PRLHR DRD2 7/4885ADRA1A 564/4885HTR1A 231/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.